Q9HNY9 - HALSA - GREMLIN Contacts

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Q9HNY9 - Nicotinate-nucleotide pyrophosphorylase [carboxylating]

UniProt:	Q9HNY9	Sequences: MPVTDADVERWLREDLGHHDVTNDVPGETTGRLVAKQAGVAAGLDAAVRVFEYLGCEADAPAAAGDRIDAGDTVLRVSGAAQSVLRAERVAVNVAGHASGVATKTRRAVAAAREASDDVAIAGTRKTTPGLRGVEKRAVVAGGGDTHRLDLSHMVMVKDNHVAELGLEGAIERFRAAKSFATKLDVEVETPEDAPRAADAGADIVLLDNMTPAETERAVDLLDGAALAEASGGITVDDVPAYAATGVDVISMGALTHSAPTLDLSFRT	Download Alignment We filter this alignment to remove sites that have many gaps before running GREMLIN. Date: 2015_01
Length:	268 (259)
Sequences:	3895 (2440)
Seq/√Len:	151.6

ECOLI - NADC
BACSU - NADC
HALSA - Q9HNY9
SULSO - Q97ZC6

GREMLIN Results:

Legend: The darker and larger the blue dots, the higher coevolution strength.

Residue pairs sorted by coevolution strength:

i	j	Sco	Prob
106_R	110_A	3.972	1.00
211_T	214_E	3.213	1.00
240_P	244_A	3.051	1.00
39_G	262_L	3.035	1.00
128_T	135_E	3.004	1.00
188_V	194_A	2.771	1.00
9_E	53_Y	2.705	1.00
105_T	144_G	2.598	1.00
195_P	221_L	2.566	1.00
234_I	242_Y	2.435	1.00
57_E	78_S	2.280	1.00
61_P	76_R	2.278	1.00
63_A	66_D	2.267	1.00
62_A	72_D	2.222	1.00
30_T	78_S	2.171	1.00
222_L	228_A	2.170	1.00
189_E	193_D	2.143	1.00
168_E	196_R	2.138	1.00
84_V	266_F	2.111	1.00
41_A	62_A	2.104	1.00
42_A	141_A	1.993	1.00
38_A	69_D	1.959	1.00
51_F	91_A	1.941	1.00
74_V	264_L	1.922	1.00
59_D	76_R	1.922	1.00
55_G	83_S	1.915	1.00
195_P	199_D	1.886	1.00
139_V	144_G	1.881	1.00
215_T	230_A	1.829	1.00
54_L	87_A	1.824	1.00
122_A	249_V	1.809	1.00
214_E	217_R	1.806	1.00
6_A	10_R	1.797	1.00
110_A	113_R	1.752	1.00
137_R	141_A	1.747	1.00
17_G	152_S	1.746	1.00
168_E	172_E	1.742	1.00
112_A	121_I	1.735	1.00
41_A	68_I	1.716	1.00
217_R	220_D	1.699	1.00
169_G	172_E	1.691	1.00
97_H	128_T	1.663	1.00
30_T	76_R	1.656	1.00
171_I	186_V	1.652	1.00
108_A	236_V	1.639	1.00
38_A	70_A	1.614	1.00
113_R	116_S	1.568	1.00
227_L	249_V	1.557	1.00
241_A	244_A	1.550	1.00
41_A	44_L	1.539	1.00
111_A	236_V	1.537	1.00
11_W	94_V	1.535	1.00
22_T	157_V	1.530	1.00
49_R	53_Y	1.530	1.00
194_A	222_L	1.530	1.00
112_A	119_V	1.526	1.00
7_D	10_R	1.520	1.00
121_I	239_V	1.510	1.00
107_R	236_V	1.496	1.00
16_L	86_R	1.485	1.00
215_T	242_Y	1.484	1.00
104_K	259_A	1.482	1.00
96_G	261_T	1.454	1.00
108_A	239_V	1.452	1.00
33_L	264_L	1.452	1.00
49_R	52_E	1.445	1.00
169_G	173_R	1.441	1.00
120_A	145_D	1.440	1.00
108_A	252_M	1.433	1.00
67_R	110_A	1.426	1.00
97_H	135_E	1.425	1.00
116_S	244_A	1.424	1.00
45_D	64_A	1.415	1.00
155_V	178_K	1.387	1.00
21_V	182_T	1.382	1.00
67_R	106_R	1.381	1.00
69_D	72_D	1.376	1.00
62_A	66_D	1.372	1.00
116_S	240_P	1.365	1.00
80_A	83_S	1.360	1.00
18_H	152_S	1.356	1.00
168_E	199_D	1.337	1.00
48_V	52_E	1.323	1.00
104_K	236_V	1.308	1.00
37_Q	260_P	1.289	1.00
56_C	79_G	1.277	1.00
59_D	78_S	1.277	1.00
183_K	203_D	1.271	1.00
41_A	74_V	1.264	1.00
194_A	198_A	1.263	1.00
192_E	195_P	1.248	1.00
47_A	75_L	1.248	1.00
212_P	242_Y	1.244	1.00
36_K	265_S	1.228	1.00
111_A	240_P	1.219	1.00
42_A	102_A	1.216	1.00
6_A	13_R	1.209	1.00
230_A	242_Y	1.206	1.00
204_I	227_L	1.199	1.00
33_L	47_A	1.179	1.00
185_D	206_L	1.173	1.00
191_P	218_A	1.171	1.00
6_A	9_E	1.163	1.00
73_T	76_R	1.159	1.00
7_D	134_V	1.159	1.00
42_A	137_R	1.159	1.00
32_R	73_T	1.153	1.00
101_V	135_E	1.135	1.00
185_D	204_I	1.133	1.00
41_A	95_A	1.132	1.00
194_A	205_V	1.110	0.99
117_D	240_P	1.103	0.99
54_L	83_S	1.100	0.99
50_V	87_A	1.094	0.99
31_G	266_F	1.084	0.99
239_V	250_I	1.083	0.99
8_V	53_Y	1.083	0.99
238_D	241_A	1.080	0.99
56_C	77_V	1.077	0.99
163_A	189_E	1.071	0.99
117_D	244_A	1.070	0.99
112_A	116_S	1.069	0.99
119_V	250_I	1.068	0.99
212_P	241_A	1.067	0.99
111_A	239_V	1.066	0.99
230_A	245_T	1.064	0.99
181_A	204_I	1.063	0.99
183_K	204_I	1.061	0.99
40_V	106_R	1.058	0.99
38_A	67_R	1.056	0.99
171_I	200_A	1.054	0.99
17_G	150_D	1.053	0.99
32_R	76_R	1.036	0.99
12_L	54_L	1.033	0.99
64_A	141_A	1.027	0.99
34_V	265_S	1.027	0.99
48_V	60_A	1.024	0.99
46_A	137_R	1.024	0.99
194_A	218_A	1.023	0.99
105_T	109_V	1.022	0.99
40_V	67_R	1.017	0.99
234_I	238_D	1.012	0.99
100_G	259_A	1.003	0.99
155_V	174_F	0.994	0.99
238_D	242_Y	0.993	0.99
44_L	60_A	0.989	0.99
8_V	94_V	0.979	0.99
172_E	176_A	0.978	0.99
104_K	107_R	0.977	0.99
104_K	108_A	0.973	0.99
45_D	137_R	0.969	0.99
58_A	75_L	0.965	0.98
28_E	80_A	0.963	0.98
213_A	216_E	0.961	0.98
45_D	48_V	0.959	0.98
56_C	83_S	0.957	0.98
223_D	226_A	0.954	0.98
34_V	267_R	0.949	0.98
150_D	153_H	0.943	0.98
162_V	166_G	0.937	0.98
112_A	243_A	0.927	0.98
33_L	75_L	0.921	0.98
68_I	74_V	0.917	0.98
107_R	110_A	0.915	0.98
9_E	13_R	0.914	0.98
7_D	11_W	0.914	0.98
98_A	138_A	0.908	0.98
219_V	245_T	0.905	0.98
212_P	245_T	0.901	0.98
175_R	203_D	0.900	0.98
22_T	156_M	0.900	0.98
212_P	238_D	0.897	0.98
252_M	255_L	0.896	0.98
195_P	198_A	0.883	0.97
47_A	91_A	0.871	0.97
235_T	238_D	0.867	0.97
56_C	80_A	0.866	0.97
190_T	193_D	0.863	0.97
123_G	146_T	0.861	0.97
253_G	256_T	0.860	0.97
216_E	244_A	0.859	0.97
109_V	144_G	0.857	0.97
135_E	259_A	0.855	0.97
154_M	181_A	0.855	0.97
60_A	66_D	0.854	0.97
98_A	135_E	0.851	0.97
233_G	252_M	0.850	0.97
81_A	164_E	0.845	0.96
21_V	155_V	0.844	0.96
222_L	226_A	0.840	0.96
195_P	217_R	0.840	0.96
8_V	49_R	0.834	0.96
44_L	48_V	0.825	0.96
217_R	221_L	0.818	0.96
35_A	74_V	0.818	0.96
207_L	218_A	0.818	0.96
253_G	257_H	0.817	0.96
47_A	58_A	0.816	0.96
24_D	82_Q	0.813	0.96
157_V	174_F	0.813	0.96
33_L	266_F	0.808	0.95
191_P	221_L	0.807	0.95
189_E	265_S	0.807	0.95
61_P	73_T	0.806	0.95
147_H	185_D	0.804	0.95
239_V	252_M	0.803	0.95
216_E	220_D	0.802	0.95
8_V	50_V	0.797	0.95
219_V	223_D	0.792	0.95
189_E	267_R	0.791	0.95
236_V	254_A	0.790	0.95
46_A	134_V	0.790	0.95
94_V	131_L	0.789	0.95
112_A	117_D	0.786	0.95
210_M	214_E	0.784	0.95
50_V	91_A	0.783	0.95
197_A	200_A	0.783	0.95
7_D	94_V	0.781	0.95
230_A	247_V	0.780	0.95
198_A	226_A	0.779	0.94
159_D	267_R	0.776	0.94
98_A	134_V	0.771	0.94
210_M	218_A	0.771	0.94
123_G	139_V	0.766	0.94
14_E	132_R	0.762	0.94
197_A	202_A	0.759	0.94
109_V	121_I	0.759	0.94
87_A	91_A	0.759	0.94
27_G	82_Q	0.757	0.94
8_V	11_W	0.754	0.93
215_T	245_T	0.750	0.93
149_L	152_S	0.749	0.93
168_E	200_A	0.747	0.93
194_A	221_L	0.743	0.93
33_L	92_V	0.742	0.93
205_V	226_A	0.739	0.93
183_K	227_L	0.733	0.92
191_P	217_R	0.727	0.92
258_S	261_T	0.726	0.92
33_L	95_A	0.725	0.92
193_D	196_R	0.721	0.92
165_L	173_R	0.719	0.92
218_A	222_L	0.719	0.92
175_R	184_L	0.705	0.91
24_D	86_R	0.703	0.91
197_A	226_A	0.703	0.91
171_I	197_A	0.702	0.91
206_L	215_T	0.694	0.90
173_R	176_A	0.692	0.90
28_E	82_Q	0.692	0.90
198_A	222_L	0.692	0.90
51_F	56_C	0.688	0.90
191_P	195_P	0.683	0.90
171_I	202_A	0.675	0.89
41_A	99_S	0.675	0.89
215_T	219_V	0.674	0.89
204_I	249_V	0.674	0.89
44_L	64_A	0.670	0.89
162_V	165_L	0.670	0.89
35_A	68_I	0.670	0.89
35_A	39_G	0.669	0.89
113_R	117_D	0.667	0.88
213_A	241_A	0.666	0.88
25_V	81_A	0.665	0.88
37_Q	262_L	0.665	0.88
122_A	181_A	0.664	0.88
175_R	201_G	0.664	0.88
112_A	239_V	0.661	0.88
121_I	250_I	0.653	0.87
113_R	240_P	0.651	0.87
163_A	193_D	0.650	0.87
179_S	182_T	0.650	0.87
121_I	252_M	0.648	0.87
205_V	222_L	0.647	0.87
36_K	267_R	0.646	0.87
118_D	248_D	0.641	0.86
109_V	113_R	0.640	0.86
50_V	94_V	0.640	0.86
33_L	77_V	0.638	0.86
178_K	181_A	0.638	0.86
46_A	98_A	0.637	0.86
227_L	248_D	0.636	0.86
116_S	119_V	0.635	0.86
253_G	258_S	0.635	0.86
104_K	111_A	0.632	0.86
104_K	254_A	0.631	0.86
50_V	90_V	0.626	0.85
94_V	134_V	0.626	0.85
156_M	159_D	0.625	0.85
51_F	87_A	0.622	0.85
185_D	203_D	0.616	0.84
159_D	209_N	0.613	0.84
95_A	264_L	0.611	0.84
192_E	196_R	0.606	0.83
47_A	50_V	0.606	0.83
230_A	246_G	0.604	0.83
213_A	217_R	0.603	0.83
77_V	87_A	0.603	0.83
12_L	50_V	0.601	0.83
68_I	262_L	0.600	0.83
122_A	251_S	0.599	0.83
172_E	200_A	0.597	0.82
19_H	150_D	0.596	0.82
234_I	250_I	0.595	0.82
62_A	74_V	0.592	0.82
202_A	226_A	0.591	0.82
55_G	79_G	0.591	0.82
106_R	113_R	0.590	0.82
62_A	68_I	0.587	0.81
33_L	91_A	0.585	0.81
230_A	234_I	0.583	0.81
235_T	252_M	0.583	0.81
122_A	204_I	0.582	0.81
39_G	68_I	0.581	0.81
10_R	13_R	0.581	0.81
108_A	234_I	0.581	0.81
109_V	142_G	0.580	0.81
212_P	216_E	0.578	0.80
96_G	123_G	0.578	0.80
112_A	244_A	0.578	0.80
240_P	243_A	0.574	0.80
29_T	81_A	0.574	0.80
10_R	131_L	0.574	0.80
122_A	227_L	0.573	0.80
207_L	222_L	0.572	0.80
31_G	77_V	0.572	0.80
112_A	144_G	0.571	0.79
44_L	75_L	0.570	0.79
43_G	99_S	0.565	0.79
58_A	77_V	0.556	0.78
79_G	84_V	0.554	0.77
173_R	177_A	0.551	0.77
256_T	261_T	0.550	0.77
119_V	242_Y	0.545	0.76
194_A	228_A	0.544	0.76
7_D	133_G	0.543	0.76
34_V	73_T	0.543	0.76
223_D	228_A	0.543	0.76
55_G	80_A	0.542	0.76
207_L	215_T	0.542	0.76
190_T	214_E	0.539	0.75
186_V	202_A	0.539	0.75
174_F	184_L	0.539	0.75
207_L	210_M	0.538	0.75
160_N	208_D	0.537	0.75
113_R	118_D	0.537	0.75
23_N	86_R	0.534	0.75
163_A	267_R	0.533	0.75
104_K	260_P	0.532	0.75
256_T	259_A	0.529	0.74
194_A	202_A	0.528	0.74
174_F	178_K	0.526	0.74
122_A	154_M	0.524	0.73
219_V	246_G	0.524	0.73
210_M	215_T	0.524	0.73
178_K	182_T	0.522	0.73
236_V	240_P	0.522	0.73
159_D	189_E	0.521	0.73
193_D	265_S	0.520	0.73
38_A	68_I	0.520	0.73
111_A	237_D	0.519	0.73
54_L	86_R	0.519	0.73
257_H	261_T	0.518	0.73
219_V	222_L	0.514	0.72
24_D	177_A	0.513	0.72
233_G	258_S	0.513	0.72
191_P	194_A	0.512	0.72
128_T	261_T	0.511	0.72
252_M	256_T	0.510	0.71
162_V	167_L	0.510	0.71
60_A	63_A	0.508	0.71
37_Q	70_A	0.508	0.71
51_F	77_V	0.505	0.71
87_A	90_V	0.505	0.71
219_V	247_V	0.505	0.71
36_K	71_G	0.504	0.71
167_L	196_R	0.503	0.70
97_H	101_V	0.502	0.70
39_G	99_S	0.502	0.70
19_H	24_D	0.502	0.70
31_G	84_V	0.502	0.70
188_V	206_L	0.502	0.70
158_K	209_N	0.501	0.70
128_T	259_A	0.501	0.70
79_G	83_S	0.501	0.70
243_A	246_G	0.500	0.70
98_A	137_R	0.500	0.70
39_G	103_T	0.500	0.70

Legend: The i and j are positions as given in the UniProt sequence. Only predictions with Prob ≥ 0.7 are listed. For all 3L/2 predictions, click on one of the links below.

Sco = ((raw_sco - min_sco)/(avg_sco - min_sco))/2 + 0.5
Prob = P(contact | Sco, seq80/√len)
seq80 = effective number of sequences, after reducing redundancy to 80% identity

Text file of predictions (all 3L/2 predictions)
Generate restraints for ROSETTA Structure Modeling
Upload PDB model overlay contacts on the model

HHsearch Results:

Legend: GREMLIN results (Prob ≥ 0.7) overlaid on top PDB hits. The grey/red filled circles underneath are pdb residue contacts (min distance < 5 Angstroms). The shade of the circles is based on the top 10 (or top 20 if e-value < 1E-20) HHsearch results which uses the overall probability and per-site alignment prob. Inter oligomeric contacts in the pdb are in shades of red.

PDB	Chains	Cov	%	HHΔ
3l0gA	3	0.9888	100	0.196	Contact Map
3pajA	2	0.9888	100	0.212	Contact Map
2b7nA	6	0.9888	100	0.219	Contact Map
1qapA	2	0.9888	100	0.219	Contact Map
3gnnA	2	0.8993	100	0.228	Contact Map
1o4uA	2	0.9552	100	0.233	Contact Map
1qpoA	2	0.9888	100	0.234	Contact Map
3tqvA	2	0.9888	100	0.235	Contact Map
3c2eA	5	0.9216	100	0.237	Contact Map
2jbmA	5	1	100	0.246	Contact Map

Sequence Conservation (Image Generated using WebLogo v3)

Legend: Color is used to show Hydrophobicity (Blue: Hydrophilic, Green: Neutral and Black: Hydrophobic). Amount of gaps is represented by width.

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